SCHEMBL8206737

SCHEMBL8206737

CCCCCCCCCCCCCCCC(=O)NC(C)(CO)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
HSP90AA1 P07900 1/20 0.53
ALDH1A1 P00352 2/20 0.53
FAAH O00519 6/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
TSHR P16473 2/20 0.43
GPR84 Q9NQS5 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
ESR1 P03372 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15726601 1.00 HRH3 (0.58) HRH3HSP90AA1ALDH1A1FAAHMEN1
SCHEMBL15417860 0.98 HRH3 (0.56) HRH3HSP90AA1ALDH1A1FAAHMEN1
SCHEMBL14845707 0.92 ALDH1A1 (0.52) HRH3HSP90AA1ALDH1A1FAAHMEN1
SCHEMBL15726667 0.86 DGKA (0.56) HRH3FAAHMEN1KMT2A
SCHEMBL23392423 0.85 ALDH1A1 (0.63) HRH3HSP90AA1ALDH1A1FAAHMEN1
SCHEMBL10689611 0.85 ALDH1A1 (0.63) HRH3HSP90AA1ALDH1A1FAAHMEN1
SCHEMBL11922964 0.85 ALDH1A1 (0.63) HRH3HSP90AA1ALDH1A1FAAHMEN1
SCHEMBL12328518 0.85 TSHR (0.46) HRH3ALDH1A1MEN1KMT2APPARG
SCHEMBL10179 0.84 HDAC3 (0.46) HRH3ALDH1A1MEN1KMT2ACES2
SCHEMBL7620414 0.83 SELP (0.49) HRH3HSP90AA1ALDH1A1FAAHMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478492-B2 Modifications of therapeutic agents for enhanced delivery to target sites CLARIA PARTIKULA LLC (US) 2019-11-19 US disclosed
US-20180028647-A1 MODIFICATIONS OF THERAPEUTIC AGENTS FOR ENHANCED DELIVERY TO TARGET SITES CLARIA ODIN LLC 2018-02-01 US disclosed
US-20180028647-A1 MODIFICATIONS OF THERAPEUTIC AGENTS FOR ENHANCED DELIVERY TO TARGET SITES CLARIA ODIN LLC 2018-02-01 US disclosed
EP-0968998-A1 Cosmetic compositions, ceramide analogues with anti-elastase activity and process for their preparation ELF ATOCHEM S.A. (FR) 2000-01-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180028647-A1 MODIFICATIONS OF THERAPEUTIC AGENTS FOR ENHANCED DELIVERY TO TARGET SITES PDK1, PC, PDK2 HRH3 3172/4885HSP90AA1 605/4885ALDH1A1 1505/4885
US-10478492-B2 Modifications of therapeutic agents for enhanced delivery to target sites PDK1, PC, PDK2 HRH3 3172/4885HSP90AA1 605/4885ALDH1A1 1505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.